N-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4-oxo-2-pyridin-4-ylchromene-8-carboxamide

C20H15N3O3S — CID 90305485

IUPACN-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4-oxo-2-pyridin-4-ylchromene-8-carboxamide
SMILESCc1cnc(N(C)C(=O)c2cccc3c(=O)cc(-c4ccncc4)oc23)s1
InChIInChI=1S/C20H15N3O3S/c1-12-11-22-20(27-12)23(2)19(25)15-5-3-4-14-16(24)10-17(26-18(14)15)13-6-8-21-9-7-13/h3-11H,1-2H3
InChIKeyPNJGUSIJGYLTCF-UHFFFAOYSA-N
MW377.43 g/mol
LogP3.90
Rot. Bonds3

About N-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4-oxo-2-pyridin-4-ylchromene-8-carboxamide

N-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4-oxo-2-pyridin-4-ylchromene-8-carboxamide (PubChem CID 90305485) has the molecular formula C20H15N3O3S and a molecular weight of 377.43 g/mol. Its IUPAC name is N-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4-oxo-2-pyridin-4-ylchromene-8-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4-oxo-2-pyridin-4-ylchromene-8-carboxamide
PubChem CID90305485
Molecular FormulaC20H15N3O3S
Molecular Weight377.43 g/mol
Exact Mass377.08
IUPAC NameN-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4-oxo-2-pyridin-4-ylchromene-8-carboxamide
SMILESCc1cnc(N(C)C(=O)c2cccc3c(=O)cc(-c4ccncc4)oc23)s1
InChIInChI=1S/C20H15N3O3S/c1-12-11-22-20(27-12)23(2)19(25)15-5-3-4-14-16(24)10-17(26-18(14)15)13-6-8-21-9-7-13/h3-11H,1-2H3
InChIKeyPNJGUSIJGYLTCF-UHFFFAOYSA-N
XLogP3.90
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4-oxo-2-pyridin-4-ylchromene-8-carboxamide?
The IUPAC name of N-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4-oxo-2-pyridin-4-ylchromene-8-carboxamide (CID 90305485) is N-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4-oxo-2-pyridin-4-ylchromene-8-carboxamide.
What is the SMILES notation for N-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4-oxo-2-pyridin-4-ylchromene-8-carboxamide?
The canonical SMILES for N-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4-oxo-2-pyridin-4-ylchromene-8-carboxamide is Cc1cnc(N(C)C(=O)c2cccc3c(=O)cc(-c4ccncc4)oc23)s1.
What is the InChIKey of N-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4-oxo-2-pyridin-4-ylchromene-8-carboxamide?
The InChIKey is PNJGUSIJGYLTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3S/c1-12-11-22-20(27-12)23(2)19(25)15-5-3-4-14-16(24)10-17(26-18(14)15)13-6-8-21-9-7-13/h3-11H,1-2H3.
What are the key properties of N-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4-oxo-2-pyridin-4-ylchromene-8-carboxamide?
N-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4-oxo-2-pyridin-4-ylchromene-8-carboxamide has a molecular weight of 377.43 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4-oxo-2-pyridin-4-ylchromene-8-carboxamide is sourced from PubChem (CID 90305485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).